Y080-0060 Screening compound: 2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

Y080-0060 Screening compound: 2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol
Y080-0060 Screening compound: 2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0060
2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y080-0060

Molecular Formula

C16H14ClFN2O (C16 H14 ClFN2 O)

Compound Name

2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

IUPAC name

2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethan-1-ol

SMILES

OCCc1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C16H14ClFN2O/c17-12-4-3-5-13(18)11(12)10-20-15-7-2-1-6-14(15)19-16(20)8-9-21/h1-7,21H,8-10H2

InChI Key

HJZLZGWKGXBLIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08543082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.35

Polar Surface Area

27.799

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y080-0060 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y080-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0060?
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What is the minimum amount of Y080-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0060
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y080-0060 available by request